20-4质谱图与结构解析

更新时间：2023-06-03 22:42:01 阅读量：实用文档文档下载

说明：文章内容仅供预览，部分内容可能不全。下载后的文档，内容与下面显示的完全一致。下载之前请确认下面内容是否您想要的，是否完整无缺。

质谱图结构解析推荐度：
相关推荐

第二十章质谱分析mass spectrometry,MS 第四节质谱图与结构解析 (电子轰击质谱—EIMS )

一、饱合烃alkanes

二、芳烃的aromatic hydrocarbons

三、醇和酚alcohols and phenols

四、醚ethers

五、醛、酮aldehydes and ketones

mass spectrograph and structure determination

六、其他化合物other compounds

一、饱合烃的质谱图1.直链烷烃

alkanes

16 15

43 57 29 15 71 85

methane M=1699 113 142 m/z

m/z

% OF BASE PEAK

43 57 29 15 71

正癸烷85

100 90 80 70 60 50

m/z=43 C3 C4 m/z=57

C5 m/z=71

n-Hexadecane

CH3(CH2)14CH3MW 226m/z=85 C6

40 m/z=29 C2 30

99 113

142 m/z

20 10

99 C7

m/z=226113 127 141 155 169 183 197 C8 C9 C10 C11 C12 C13 C14 M C16

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210220230

分子离子：C1(100%), C10(6%), C16(小), C45(0) 有m/z :29,43,57,71,……CnH2n+1 系列峰(σ—断裂) 有m/z :27,41,55,69,……CnH2n-1 系列峰 C2H5+( m/z =29)→ C2H3+( m/z =27)+H2 有m/z :28,42,56,70,……CnH2n系列峰(四圆环重排)

2.支链烷烃m/z=43 C3 m/z=57 C4

5-Methylpentadecane 169 CH3(CH2)3 57 CH CH3 85 141 (CH2)9CH3

100 90% OF BASE PEAK

80 70 60 50 40 30 20 10 0 0

C6 m/z=85 m/z=71 C5 m/z=99 C7

113 C8 C9 C10

C12

M M 15 C16

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210220 230

3.环烷烃56(C4H8+) 84(M ) 41(C3H5+) Cyclohexane

100

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

M=840 10 20 30 40 50 60 70 80 90 100 110

MethylCyclohexane100

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

M=98 98(M ) 55 41 69 290 10 20 30 40 50 60 70 80 90 100 110

CH3 m/z=98 m/z=83

CH3 H3C CH2 m/z=55 H3C100

CH2

CH3 CH3

CH3 CH3 C 41 H3C

CH3 CH C CH2 m/z=69

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

55 27

84(M )

20 30

40 50

60 70

90 100 110

二、芳烃的质谱图aromatic hydrocarbons100% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

CH2 CH2 CH2 CH3 92

134(M ) 39 51 65 770 10 20 30 40 50 60 70 80 90 100 110 120 130 140

CH2 CH2 CH2 CH3 m/z=134 m/z=39 HC CH m/z=65

CH 2CH 2CH 3

CH2 m/z=91

m/z=91

H2 C

CH2 CH2 HC CH3 CH2 H H m/z=92 C4H9 m/z=77 HC CH m/z=51

CH CH3 H CH2CH2CH2CH3 m/z=134

三、醇和酚的质谱图alcohols and phenolsR1 R2 R3 m/z: 31,59,73,H RHC (CH2)n H OH CH2 RHC OH CH2 (CH2)n -H2O RHC CH2 RHC CH2

R1 C R2 OH

(CH2)n

H O+ H RHC CH2 CH2 CH2 H O+ H RHC CH2 HC CH2

- H 2C-H2O

CH2 H2C CH RM - (Alkene + H2O) M-46

H - H2C C CH3-H2O

H2C CH RM-60

CH3

H2 C CH

H2C

H C H

CH2

- H2C

CH2

H2 R C CH M-76

CH2

100

CH2OH

1-PenTanol MW88M - (H2O and CH2 CH2) CH2OH 31 CH3(CH2)3 M - (H2O and CH3) M - H2O M-1

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

0 10 20 30 40 50 60 70 80 90 100110 120 130140 150

100% OF BASE PEAK

2 -PenTanol MW88 CH3(CH2)2M - (H2O and CH3) M - H2O M - CH3 M-1 M

90 80 70 60 50 40

30 20 10 0M - (H2O andCH2 CH2 )

H C CH3 OH 45

0 10 20 30 40 50 60 70 80 90 100110 120 130140150

100

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

2-Methyl-2-butanol MW88 59 CH3 CH3CH2 C CH3M - (H2O and CH2 CH2) M - CH3

OH 59M - (H2O and CH3)

M - H2O0 10 20 30 40 50 60 70 80 90 100110 120 130140150

CH2OH m/z=108 H H

OH- H - CO

m/z=107 H- H2

H H H m/z=77

m/z=79

H2 C C H2

OH H

- H2O

CH2 CH2 CH2 O

H2 C O

OH H

- H2O

H H

- CO

H H m/z=66

m/z=94 - CHO

m/z=65

CH2CH3 OH

-CH3

CH2 OH m/z 107 (100%)

CHCH 3 H OH m/z 121 (3.5%)

100

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

o-Ethylphenol 122(M) M-H 2O C 6H 5

M-CH 3

0 10 20 30 40 50 60 70 80 90 100110 120 130140150

四、醚的质谱图ethersH3C C H 45 OH

100

% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

Ethyl sec-butyl ether MW 102 73 29 M-CH3CH2 H 73 CH3CH2 CH3 CH2 C O CH2 CH3 29 CH3 87 57 M-CH3 57 87 102 M0 10 20 30 40 50 60 70 80 90 100110 120 130140150

五、醛、酮的质谱图aldehydes and ketonesO100% OF BASE PEAK

90 80 70 60 50 40 30 20 10 0

C6H5

C O p-Chlorobenzophenone 216(M) 100.0 217(M+1) 19.28 Cl C O 218(M+2) 33.99 219(M+3) 6.21 Cl 220(M+4) 0.98 M M+1 M+2 M+3 M+4

0 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230

100 90 80 70 60 50 40 30 20 10 0

% OF BASE PEAK

0 10 20 30 40 50 60 70 80 90 100

本文来源：https://www.bwwdw.com/article/z0n1.html

相关文章：